6-[(3R)-3-[2-(3-fluorophenyl)ethyl]piperidine-1-carbonyl]-2-methylpyridazin-3-one

C19H22FN3O2 — CID 26333754

IUPAC6-[(3R)-3-[2-(3-fluorophenyl)ethyl]piperidine-1-carbonyl]-2-methylpyridazin-3-one
SMILESCn1nc(C(=O)N2CCC[C@@H](CCc3cccc(F)c3)C2)ccc1=O
InChIInChI=1S/C19H22FN3O2/c1-22-18(24)10-9-17(21-22)19(25)23-11-3-5-15(13-23)8-7-14-4-2-6-16(20)12-14/h2,4,6,9-10,12,15H,3,5,7-8,11,13H2,1H3/t15-/m0/s1
InChIKeyFZEWXEWHZPCZJD-HNNXBMFYSA-N
MW343.40 g/mol
LogP2.40
Rot. Bonds4

About 6-[(3R)-3-[2-(3-fluorophenyl)ethyl]piperidine-1-carbonyl]-2-methylpyridazin-3-one

6-[(3R)-3-[2-(3-fluorophenyl)ethyl]piperidine-1-carbonyl]-2-methylpyridazin-3-one (PubChem CID 26333754) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 6-[(3R)-3-[2-(3-fluorophenyl)ethyl]piperidine-1-carbonyl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[(3R)-3-[2-(3-fluorophenyl)ethyl]piperidine-1-carbonyl]-2-methylpyridazin-3-one
PubChem CID26333754
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name6-[(3R)-3-[2-(3-fluorophenyl)ethyl]piperidine-1-carbonyl]-2-methylpyridazin-3-one
SMILESCn1nc(C(=O)N2CCC[C@@H](CCc3cccc(F)c3)C2)ccc1=O
InChIInChI=1S/C19H22FN3O2/c1-22-18(24)10-9-17(21-22)19(25)23-11-3-5-15(13-23)8-7-14-4-2-6-16(20)12-14/h2,4,6,9-10,12,15H,3,5,7-8,11,13H2,1H3/t15-/m0/s1
InChIKeyFZEWXEWHZPCZJD-HNNXBMFYSA-N
XLogP2.40
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[(3R)-3-[2-(3-fluorophenyl)ethyl]piperidine-1-carbonyl]-2-methylpyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 42459967
(2,6-dimethylpyrimidin-4-yl)-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 42245768
[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 45188597
N-(4-fluoro-2-methylphenyl)-3-[(3S)-1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-3-yl]propanamide
CID 42392284
[(3R)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 25459016
N-[2-[(3R)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 25485498
N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 45235384
1-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-2-methoxyethanone
CID 56743313
1-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-2-methoxyethanone
CID 95200233
1-[4-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 26401825
[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone
CID 56867801
4,4,4-trifluoro-1-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]butan-1-one
CID 95129018

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-[2-(3-fluorophenyl)ethyl]piperidine-1-carbonyl]-2-methylpyridazin-3-one?
The IUPAC name of 6-[(3R)-3-[2-(3-fluorophenyl)ethyl]piperidine-1-carbonyl]-2-methylpyridazin-3-one (CID 26333754) is 6-[(3R)-3-[2-(3-fluorophenyl)ethyl]piperidine-1-carbonyl]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[(3R)-3-[2-(3-fluorophenyl)ethyl]piperidine-1-carbonyl]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[(3R)-3-[2-(3-fluorophenyl)ethyl]piperidine-1-carbonyl]-2-methylpyridazin-3-one is Cn1nc(C(=O)N2CCC[C@@H](CCc3cccc(F)c3)C2)ccc1=O.
What is the InChIKey of 6-[(3R)-3-[2-(3-fluorophenyl)ethyl]piperidine-1-carbonyl]-2-methylpyridazin-3-one?
The InChIKey is FZEWXEWHZPCZJD-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-22-18(24)10-9-17(21-22)19(25)23-11-3-5-15(13-23)8-7-14-4-2-6-16(20)12-14/h2,4,6,9-10,12,15H,3,5,7-8,11,13H2,1H3/t15-/m0/s1.
What are the key properties of 6-[(3R)-3-[2-(3-fluorophenyl)ethyl]piperidine-1-carbonyl]-2-methylpyridazin-3-one?
6-[(3R)-3-[2-(3-fluorophenyl)ethyl]piperidine-1-carbonyl]-2-methylpyridazin-3-one has a molecular weight of 343.40 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-[2-(3-fluorophenyl)ethyl]piperidine-1-carbonyl]-2-methylpyridazin-3-one is sourced from PubChem (CID 26333754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).